CAS RN: 852660-54-9
6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251231 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS852660-54-9
- Purity/Analytical Methods: >99.0%
852660-54-9 / 6-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
Basic Information
CAS
852660-54-9
Multi CAS
No
Molecular Formula
C10H13CLFN
Molecular Weight
201.670000
Exact Mass
201.072055
InChI
InChI=1S/C10H12FN.ClH/c11-9-3-1-8-6-10(12)4-2-7(8)5-9;/h1,3,5,10H,2,4,6,12H2;1H
InChIKey
ISIVAXAVZRQAGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.65
TPSA
26.02
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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